N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide

C21H25N3O7 — CID 135144010

IUPACN-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide
SMILESC=C1c2cccc(OCCOCCNC(=O)COC)c2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C21H25N3O7/c1-13-14-4-3-5-16(31-11-10-30-9-8-22-18(26)12-29-2)19(14)21(28)24(13)15-6-7-17(25)23-20(15)27/h3-5,15H,1,6-12H2,2H3,(H,22,26)(H,23,25,27)
InChIKeyQYVRGFMFHDMOLA-UHFFFAOYSA-N
MW431.45 g/mol
LogP0.08
Rot. Bonds10

About N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide

N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide (PubChem CID 135144010) has the molecular formula C21H25N3O7 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide
PubChem CID135144010
Molecular FormulaC21H25N3O7
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC NameN-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide
SMILESC=C1c2cccc(OCCOCCNC(=O)COC)c2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C21H25N3O7/c1-13-14-4-3-5-16(31-11-10-30-9-8-22-18(26)12-29-2)19(14)21(28)24(13)15-6-7-17(25)23-20(15)27/h3-5,15H,1,6-12H2,2H3,(H,22,26)(H,23,25,27)
InChIKeyQYVRGFMFHDMOLA-UHFFFAOYSA-N
XLogP0.08
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 170060386
N-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-2-hydroxyacetamide
CID 167048791
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]acetamide;ethane
CID 178004650
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 121439751
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
CID 134160247
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
CID 155292169
3-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 138689178
N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 162704230
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide;hydrochloride
CID 155292636
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[8-(2-methoxyethylamino)octyl]acetamide
CID 135177213
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-(3-oxopropyl)acetamide
CID 155195023

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide (CID 135144010) is N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide is C=C1c2cccc(OCCOCCNC(=O)COC)c2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide?
The InChIKey is QYVRGFMFHDMOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7/c1-13-14-4-3-5-16(31-11-10-30-9-8-22-18(26)12-29-2)19(14)21(28)24(13)15-6-7-17(25)23-20(15)27/h3-5,15H,1,6-12H2,2H3,(H,22,26)(H,23,25,27).
What are the key properties of N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide?
N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide has a molecular weight of 431.45 g/mol, XLogP of 0.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1-methylidene-3-oxoisoindol-4-yl]oxyethoxy]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 135144010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).